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CHEBI:211857 - ICM0301 E

ChEBI IDCHEBI:211857
ChEBI NameICM0301 E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H36O3
Net Charge0
Average Mass372.549
Monoisotopic Mass372.26645
SMILESC/C=C(\C)[C@H]1[C@@H](/C=C/C=C(\C)C(=O)CC)[C@@H]2CC[C@](C)(O)C[C@H]2[C@@H]2O[C@@]21C
InChIInChI=1S/C24H36O3/c1-7-15(3)21-18(11-9-10-16(4)20(25)8-2)17-12-13-23(5,26)14-19(17)22-24(21,6)27-22/h7,9-11,17-19,21-22,26H,8,12-14H2,1-6H3/b11-9+,15-7+,16-10+/t17-,18-,19+,21-,22-,23-,24+/m0/s1
InChIKeyVKXPJJBZNMZKHN-IMSAYNGESA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (15112957)
ChEBI Ontology
Outgoing Relation(s)
ICM0301 E (CHEBI:211857) is a oxacycle (CHEBI:38104)
IUPAC Name 
(4E,6E)-7-[(1aR,2R,3S,3aS,6S,7aR,7bS)-2-[(E)-but-2-en-2-yl]-6-hydroxy-1a,6-dimethyl-2,3,3a,4,5,7,7a,7b-octahydronaphtho[1,2-b]oxiren-3-yl]-4-methylhepta-4,6-dien-3-one
Manual XrefsDatabases
8243446ChemSpider